1-Butanol → HCID 19096938, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:16][CH2:17][NH:18][CH2:19][CH2:20][c:21]2[cH:22][c:23]([C:32]([CH3:33])([CH3:34])[CH3:35])[c:24]([OH:31])[c:25]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:26]2)[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH2:36]=[O:37].[CH2:38]([OH:39])[CH2:40][CH2:41][CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:16][CH2:17][N:18]([CH2:19][CH2:20][c:21]2[cH:22][c:23]([C:32]([CH3:33])([CH3:34])[CH3:35])[c:24]([OH:31])[c:25]([C:27]([CH3:28])([CH3:29])[CH3:30])[cH:26]2)[CH3:36])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]Participants
4
Sources & evidence
- ORD record
- ord-1f02c72834d4467eb17d0b54c5ff4ef3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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